2-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one

C16H25N3OS — CID 97370161

IUPAC2-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)CN1CCC2(CCN(Cc3nccs3)CC2)C1=O
InChIInChI=1S/C16H25N3OS/c1-13(2)11-19-9-5-16(15(19)20)3-7-18(8-4-16)12-14-17-6-10-21-14/h6,10,13H,3-5,7-9,11-12H2,1-2H3
InChIKeyDJQRRJKLUMFDJX-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.61
Rot. Bonds4

About 2-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one

2-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97370161) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97370161
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name2-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)CN1CCC2(CCN(Cc3nccs3)CC2)C1=O
InChIInChI=1S/C16H25N3OS/c1-13(2)11-19-9-5-16(15(19)20)3-7-18(8-4-16)12-14-17-6-10-21-14/h6,10,13H,3-5,7-9,11-12H2,1-2H3
InChIKeyDJQRRJKLUMFDJX-UHFFFAOYSA-N
XLogP2.61
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3233568
1-[2-(1,3-Thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 3234275
1-[9-(1,3-Thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
CID 3232808
1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3233453
8-(1,3-Thiazol-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
CID 72925269
2-Ethyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370133
2-(2-Methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370188
N,N-dimethyl-2-[1-oxo-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 97370241
(5S,10S)-10-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97375552
2-Methyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97393149
Oxolan-3-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 118741023
Oxolan-3-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 118741025

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one (CID 97370161) is 2-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one is CC(C)CN1CCC2(CCN(Cc3nccs3)CC2)C1=O.
What is the InChIKey of 2-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is DJQRRJKLUMFDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-13(2)11-19-9-5-16(15(19)20)3-7-18(8-4-16)12-14-17-6-10-21-14/h6,10,13H,3-5,7-9,11-12H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
2-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 307.46 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97370161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).